1-[(E)-(4-chlorophenyl)methylideneamino]-5-methyl-4-(1,3-thiazol-2-yl)imidazol-2-amine

C14H12ClN5S — CID 46228717

IUPAC1-[(E)-(4-chlorophenyl)methylideneamino]-5-methyl-4-(1,3-thiazol-2-yl)imidazol-2-amine
SMILESCc1c(-c2nccs2)nc(N)n1/N=C/c1ccc(Cl)cc1
InChIInChI=1S/C14H12ClN5S/c1-9-12(13-17-6-7-21-13)19-14(16)20(9)18-8-10-2-4-11(15)5-3-10/h2-8H,1H3,(H2,16,19)/b18-8+
InChIKeyDODUVCSEDQJJQE-QGMBQPNBSA-N
MW317.81 g/mol
LogP3.43
Rot. Bonds3

About 1-[(E)-(4-chlorophenyl)methylideneamino]-5-methyl-4-(1,3-thiazol-2-yl)imidazol-2-amine

1-[(E)-(4-chlorophenyl)methylideneamino]-5-methyl-4-(1,3-thiazol-2-yl)imidazol-2-amine (PubChem CID 46228717) has the molecular formula C14H12ClN5S and a molecular weight of 317.81 g/mol. Its IUPAC name is 1-[(E)-(4-chlorophenyl)methylideneamino]-5-methyl-4-(1,3-thiazol-2-yl)imidazol-2-amine.

Molecular Properties

Compound Name1-[(E)-(4-chlorophenyl)methylideneamino]-5-methyl-4-(1,3-thiazol-2-yl)imidazol-2-amine
PubChem CID46228717
Molecular FormulaC14H12ClN5S
Molecular Weight317.81 g/mol
Exact Mass317.05
IUPAC Name1-[(E)-(4-chlorophenyl)methylideneamino]-5-methyl-4-(1,3-thiazol-2-yl)imidazol-2-amine
SMILESCc1c(-c2nccs2)nc(N)n1/N=C/c1ccc(Cl)cc1
InChIInChI=1S/C14H12ClN5S/c1-9-12(13-17-6-7-21-13)19-14(16)20(9)18-8-10-2-4-11(15)5-3-10/h2-8H,1H3,(H2,16,19)/b18-8+
InChIKeyDODUVCSEDQJJQE-QGMBQPNBSA-N
XLogP3.43
TPSA69.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.81
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-Chloro-6-[1-methyl-4-(1,3-thiazol-5-ylmethyl)pyrazol-3-yl]pyrimidin-2-amine
CID 164625583
6-(4-Chloro-phenyl)-2-methyl-imidazo[2,1-b][1,3,4]thiadiazole
CID 2858406
4-(4-chlorophenyl)-2-[(5-methyl-1H-imidazol-4-yl)methyl]-1,3-thiazole
CID 14742540
1-[(E)-(3-methylthiophen-2-yl)methylideneamino]-4-phenylimidazol-2-amine
CID 21055050
1-[(E)-(4-chlorophenyl)methylideneamino]-4-thiophen-2-ylimidazol-2-amine
CID 21055056
1-[(E)-(4-chlorophenyl)methylideneamino]-4-thiophen-3-ylimidazol-2-amine
CID 21055058
1-[(E)-(4-chlorophenyl)methylideneamino]-4-(5-chlorothiophen-2-yl)imidazol-2-amine
CID 21949754
6-(4-Chlorophenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole
CID 619316
5-(4-chlorophenyl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,2,4-triazin-3-amine
CID 44522113
4-(4-chlorophenyl)-N-[(E)-(4-imidazol-1-ylphenyl)methyleneamino]thiazol-2-amine
CID 86580278
1-[(2-(4-Chlorophenyl) thiazol-4-yl)methyl]-1h-imidazole
CID 47131638
5-(2-chlorophenyl)-N-(thiophen-2-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 58285708

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-(4-chlorophenyl)methylideneamino]-5-methyl-4-(1,3-thiazol-2-yl)imidazol-2-amine?
The IUPAC name of 1-[(E)-(4-chlorophenyl)methylideneamino]-5-methyl-4-(1,3-thiazol-2-yl)imidazol-2-amine (CID 46228717) is 1-[(E)-(4-chlorophenyl)methylideneamino]-5-methyl-4-(1,3-thiazol-2-yl)imidazol-2-amine.
What is the SMILES notation for 1-[(E)-(4-chlorophenyl)methylideneamino]-5-methyl-4-(1,3-thiazol-2-yl)imidazol-2-amine?
The canonical SMILES for 1-[(E)-(4-chlorophenyl)methylideneamino]-5-methyl-4-(1,3-thiazol-2-yl)imidazol-2-amine is Cc1c(-c2nccs2)nc(N)n1/N=C/c1ccc(Cl)cc1.
What is the InChIKey of 1-[(E)-(4-chlorophenyl)methylideneamino]-5-methyl-4-(1,3-thiazol-2-yl)imidazol-2-amine?
The InChIKey is DODUVCSEDQJJQE-QGMBQPNBSA-N. The full InChI is InChI=1S/C14H12ClN5S/c1-9-12(13-17-6-7-21-13)19-14(16)20(9)18-8-10-2-4-11(15)5-3-10/h2-8H,1H3,(H2,16,19)/b18-8+.
What are the key properties of 1-[(E)-(4-chlorophenyl)methylideneamino]-5-methyl-4-(1,3-thiazol-2-yl)imidazol-2-amine?
1-[(E)-(4-chlorophenyl)methylideneamino]-5-methyl-4-(1,3-thiazol-2-yl)imidazol-2-amine has a molecular weight of 317.81 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-(4-chlorophenyl)methylideneamino]-5-methyl-4-(1,3-thiazol-2-yl)imidazol-2-amine is sourced from PubChem (CID 46228717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).